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Showing results for michal kcal
Your search for Michal Krčál retrieved no results
NIR-II-triggered photothermal therapy with Au@PDA/PEG-PI for targeted downregulation of PSMA in prostate cancer.
Ding X, Bai S, Liu F, Michał N, Roman S, Peng N, Liu Y. Ding X, et al. Acta Biomater. 2023 Feb;157:487-499. doi: 10.1016/j.actbio.2022.12.017. Epub 2022 Dec 13. Acta Biomater. 2023. PMID: 36521678
The results of molecular docking demonstrated that the synthesized PEG modified urea-based PSMA inhibitor (small molecular PSMA inhibitor, PI) PI-PEG has a high affinity energy (binding energy = - 8.3 kcal mol(-1)) for the PSMA target. Therefore, modification of PI-PEG ont …
The results of molecular docking demonstrated that the synthesized PEG modified urea-based PSMA inhibitor (small molecular PSMA inhibitor, P …
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus.
Jablonský M, Štekláč M, Majová V, Gall M, Matúška J, Pitoňák M, Bučinský L. Jablonský M, et al. Biophys Chem. 2022 Sep;288:106854. doi: 10.1016/j.bpc.2022.106854. Epub 2022 Jun 26. Biophys Chem. 2022. PMID: 35810518 Free PMC article.
Four compounds in the W set achieve a docking score below -13 kcal/mol, with (+)-lariciresinol 9'-p-coumarate (CID 11497085) achieving the best docking score (-15 kcal/mol) within the W and S sets. In addition, 50% of W set docking scores are found below -8 kcal …
Four compounds in the W set achieve a docking score below -13 kcal/mol, with (+)-lariciresinol 9'-p-coumarate (CID 11497085) achievin …
Innovative high-fiber wheat bread fortified with micronized oat and Plantago ovata husks: Spectroscopic and physicochemical characteristics.
Różyło R, Schönlechner R, Pichler EC, Dziki D, Matwijczuk A, Biernacka B, Świeca M. Różyło R, et al. Food Chem. 2023 Dec 1;428:136782. doi: 10.1016/j.foodchem.2023.136782. Epub 2023 Jul 1. Food Chem. 2023. PMID: 37418878 Free article.
Bread enriched with 10% micronized oat husk and 5% P. ovata husk contained 9.2 g/100 g FW of fiber (a 5-fold increase), 7.1 g/100 g FW of protein (a decrease of 21%), 40.1 g/100 g FW of carbohydrates (a decrease of 21.6%), and had a calorific value of 212 kcal/100 g FW (a …
Bread enriched with 10% micronized oat husk and 5% P. ovata husk contained 9.2 g/100 g FW of fiber (a 5-fold increase), 7.1 g/100 g FW of pr …
Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations.
Lazniewski M, Dermawan D, Hidayat S, Muchtaridi M, Dawson WK, Plewczynski D. Lazniewski M, et al. Methods. 2022 Jul;203:498-510. doi: 10.1016/j.ymeth.2022.02.004. Epub 2022 Feb 12. Methods. 2022. PMID: 35167916 Free PMC article.
The most promising candidates among the currently used drugs were zafirlukast and simeprevir with an average binding affinity of -22 kcal/mol for spike proteins originating from various lineages. The first compound is a leukotriene receptor antagonist that is used to treat …
The most promising candidates among the currently used drugs were zafirlukast and simeprevir with an average binding affinity of -22 kcal …
The nature of bonding and electronic properties of graphene and benzene with iridium adatoms.
Lazar P, Granatier J, Klimeš J, Hobza P, Otyepka M. Lazar P, et al. Phys Chem Chem Phys. 2014 Oct 14;16(38):20818-27. doi: 10.1039/c4cp02608j. Epub 2014 Aug 28. Phys Chem Chem Phys. 2014. PMID: 25166887
The CASPT2-SOC method revealed a strong binding affinity of Ir for benzene (33.1 kcal mol(-1)) at a 1.81 A distance, which was of a single reference character, and a weaker binding affinity (6.3 kcal mol(-1)) at 3.00 A of a multireference character. ...The results s …
The CASPT2-SOC method revealed a strong binding affinity of Ir for benzene (33.1 kcal mol(-1)) at a 1.81 A distance, which was of a s …
NMR-based molecular ruler for determining the depth of intercalants within the lipid bilayer. Part IV: studies on ketophospholipids.
Afri M, Alexenberg C, Aped P, Bodner E, Cohen S, Ejgenberg M, Eliyahu S, Gilinsky-Sharon P, Harel Y, Naqqash ME, Porat H, Ranz A, Frimer AA. Afri M, et al. Chem Phys Lipids. 2014 Dec;184:119-28. doi: 10.1016/j.chemphyslip.2014.07.003. Epub 2014 Jul 23. Chem Phys Lipids. 2014. PMID: 25064026
However, this study is still incomplete, since the plot lacks data points in the important area of moderately polarity, i.e., in the E(T)(30) range of 51-45.5 kcal/mol. To correct this lacuna, a family of ketophospholipids was prepared in which the above n-oxooctadecanoic …
However, this study is still incomplete, since the plot lacks data points in the important area of moderately polarity, i.e., in the E(T)(30 …